N-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-5-carboxamide

C8H12N2O3 — CID 127000299

IUPACN-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)N(C)C(=O)c1cc(=O)[nH]o1
InChIInChI=1S/C8H12N2O3/c1-5(2)10(3)8(12)6-4-7(11)9-13-6/h4-5H,1-3H3,(H,9,11)
InChIKeyYYZBHRICQKGGIP-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.45
Rot. Bonds2

About N-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-5-carboxamide

N-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 127000299) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is N-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID127000299
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC NameN-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)N(C)C(=O)c1cc(=O)[nH]o1
InChIInChI=1S/C8H12N2O3/c1-5(2)10(3)8(12)6-4-7(11)9-13-6/h4-5H,1-3H3,(H,9,11)
InChIKeyYYZBHRICQKGGIP-UHFFFAOYSA-N
XLogP0.45
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-5-carboxamide (CID 127000299) is N-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-5-carboxamide is CC(C)N(C)C(=O)c1cc(=O)[nH]o1.
What is the InChIKey of N-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is YYZBHRICQKGGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5(2)10(3)8(12)6-4-7(11)9-13-6/h4-5H,1-3H3,(H,9,11).
What are the key properties of N-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-5-carboxamide?
N-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 184.19 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 127000299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).